@MOLECULE 3-(5-o-phosphono-beta-d-ribofuranosyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.5484 -0.4984 -0.7030 P.3 1 UNL1 0.3600 2 O -0.4949 0.3653 1.7244 O.3 1 UNL1 -0.3609 3 O 0.8178 3.0253 0.1464 O.3 1 UNL1 -0.5807 4 O -1.6957 3.0688 0.7919 O.3 1 UNL1 -0.5329 5 O -2.9844 -0.2475 -0.8746 O.3 1 UNL1 -0.2671 6 O 0.1316 -2.0087 1.1670 O.2 1 UNL1 -0.4766 7 O 4.2610 -3.1787 -0.2667 O.2 1 UNL1 -0.4588 8 O 5.2370 2.0990 -1.2228 O.2 1 UNL1 -0.4763 9 O -4.9118 0.0559 0.7450 O.3 1 UNL1 -0.3201 10 O -4.7254 -2.0707 -0.4546 O.3 1 UNL1 -0.4320 11 O -5.2267 0.1159 -1.8258 O.2 1 UNL1 -0.2096 12 N 1.4732 -0.2407 0.5254 N.ar 1 UNL1 -0.5222 13 N 3.2182 1.3520 -0.2887 N.ar 1 UNL1 -0.5246 14 N 2.2087 -2.5443 0.4520 N.ar 1 UNL1 -0.6404 15 N 4.8181 -0.1716 -0.8043 N.ar 1 UNL1 -0.4497 16 C 0.6387 0.8599 1.0819 C.3 1 UNL1 0.2578 17 C 0.1630 1.8059 -0.0666 C.3 1 UNL1 0.0274 18 C -1.3760 1.8776 0.1239 C.3 1 UNL1 0.0654 19 C -1.6822 0.6239 0.9593 C.3 1 UNL1 0.0176 20 C -1.9892 -0.6057 0.0882 C.3 1 UNL1 -0.0492 21 C 2.7219 0.0929 0.0250 C.ar 1 UNL1 0.3377 22 C 1.2000 -1.6159 0.7619 C.ar 1 UNL1 0.7231 23 C 3.7018 -0.8548 -0.2847 C.ar 1 UNL1 -0.2145 24 C 3.5049 -2.2602 -0.0676 C.ar 1 UNL1 0.6244 25 C 4.5419 1.1973 -0.8348 C.ar 1 UNL1 0.6658 26 H 1.2239 1.3867 1.8812 H 1 UNL1 0.1696 27 H 0.4495 1.4582 -1.0804 H 1 UNL1 0.1629 28 H -1.9498 1.9537 -0.8266 H 1 UNL1 0.1946 29 H -2.4531 0.7973 1.7423 H 1 UNL1 0.1746 30 H -2.1890 -1.4971 0.7167 H 1 UNL1 0.1656 31 H -1.1353 -0.8574 -0.5812 H 1 UNL1 0.1492 32 H 0.1744 3.7787 0.1620 H 1 UNL1 0.3669 33 H -1.4854 3.0102 1.7509 H 1 UNL1 0.3254 34 H 2.7279 2.2293 -0.2161 H 1 UNL1 0.3685 35 H 1.9803 -3.5288 0.6300 H 1 UNL1 0.3497 36 H 5.6472 -0.6198 -1.1358 H 1 UNL1 0.3545 37 H -5.2447 -0.7248 1.3280 H 1 UNL1 0.3211 38 H -4.7087 -2.5679 -1.3424 H 1 UNL1 0.3337 @BOND 1 11 1 2 2 38 10 1 3 8 25 2 4 36 15 1 5 27 17 1 6 5 1 1 7 5 20 1 8 25 15 ar 9 25 13 ar 10 28 18 1 11 15 23 ar 12 1 10 1 13 1 9 1 14 31 20 1 15 13 34 1 16 13 21 ar 17 23 24 ar 18 23 21 ar 19 7 24 2 20 24 14 ar 21 17 18 1 22 17 3 1 23 17 16 1 24 21 12 ar 25 20 30 1 26 20 19 1 27 18 4 1 28 18 19 1 29 3 32 1 30 14 35 1 31 14 22 ar 32 12 22 ar 33 12 16 1 34 9 37 1 35 22 6 2 36 4 33 1 37 19 2 1 38 19 29 1 39 16 2 1 40 16 26 1